GD014596

Name:

None

Formula:

C28H39O18NS

Smiles:

CC(=O)OC[C@@H]1O[C@H](SCC(N)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.NC(=O)CS

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL473052

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD01064

Formula: C2H5ONS

Smiles:

NC(=O)CS

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	-0.6	Num_rotatable_bonds:	1
MolWt:	91.13	Num_heavy_atoms:	5
TPSA:	43.09	NumAromaticRings:	0